1-(2-Isopropylphenyl)piperazine

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Basic information

CAS: 119695-82-8
Standard SMILES: CC(C)c1ccccc1N1CCNCC1
InChIKey: JQQVFOBGUYOMQP-UHFFFAOYSA-N
Molecular formula: C13H20N2
Average molar mass: 204.31 g/mol
Monoisotopic mass: 204.16264864

Names & identifiers

Preferred name: 1-(2-Isopropylphenyl)piperazine
IUPAC: 1-(2-propan-2-ylphenyl)piperazine

Names & synonyms

119695-82-81-(2-isopropylphenyl)piperazineDTXSID40394137RefChem:223605DTXCID603449971-(2-propan-2-ylphenyl)piperazine1-[2-(propan-2-yl)phenyl]piperazinePiperazine, 1-[2-(1-methylethyl)phenyl]-CHEMBL2761561-(2-Isopropyl-phenyl)-piperazineSCHEMBL5336801SCHEMBL30159660

Show more names

1-(2-isopropyl-phenyl)piperazineJQQVFOBGUYOMQP-UHFFFAOYSA-N1-(2-isopropyl-pbenyl)-piperazineUEA695821-[2-(methylethyl)phenyl]piperazineBDBM50017450DA-14655EN300-214892

Database identifiers

CAS: 119695-82-8
PubChem CID: 3608822
DTXSID: DTXSID40394137
ChEMBL: CHEMBL276156

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 15.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 185

Related reactions

10 records

New reaction record

HRID 126192As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 137589As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 334282As reactantuspto-grants-2014_11

HRID 981513As productuspto-grants-1991_02

HRID 1149023As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1546632As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 1592713As productuspto-grants-2007_11

HRID 1841451As reactantuspto-grants-2004_01

Compound notes

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